ChemSpider 2D Image | AZD 9496 | C25H25F3N2O2

AZD 9496

  • Molecular FormulaC25H25F3N2O2
  • Average mass442.473 Da
  • Monoisotopic mass442.186798 Da
  • ChemSpider ID35000183

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-{3,5-Difluor-4-[(1R,3R)-2-(2-fluor-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{3,5-Difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]phenyl}acrylic acid [ACD/IUPAC Name]
1639042-08-2 [RN]
2-Propenoic acid, 3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1H-pyrido[3,4-b]indol-1-yl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-méthylpropyl)-3-méthyl-2,3,4,9-tétrahydro-1H-β-carbolin-1-yl]phényl}acrylique [French] [ACD/IUPAC Name]
AZD 9496
AZD-9496
DA9P7LN909
(2E)?-3-?[3,?5-?difluoro-?4-?[(1R,?3R)?-?2-?(2-?fluoro-?2-?methylpropyl)?-?2,?3,?4,?9-?tetrahydro-?3-?methyl-?1H-?pyrido[3,?4-?b]?indol-?1-?yl]?phenyl]?-?2-?Propenoic acid
(2E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-propenoic acid
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AZD9496 is a potent and orally bioavailable selective estrogen receptor downregulator(Ki=0.7 nM) and antagonist.; IC50 value: 0.7 nM(Ki); 0.14 nM(ER downregulation cell IC50) [1]; Target: ER downregulator; AZD9496 can induce ER? degradation in breast cancer cell lines at picomolar concentrations. MedChem Express HY-12870
      Estrogen Receptor/ERR MedChem Express HY-12870
      Others MedChem Express HY-12870

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 541.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 281.0±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 19.28
ACD/KOC (pH 5.5): 60.83
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 7.28
ACD/KOC (pH 7.4): 22.97
Polar Surface Area: 56 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 344.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement